SCHEMBL3471637

SCHEMBL3471637

COc1ccc(Nc2cc(C(F)(F)F)ccc2Cl)c(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
LMNA P02545 2/20 0.57
POLB P06746 1/20 0.57
AKR1C3 P42330 3/20 0.57
AKR1C2 P52895 3/20 0.57
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP2D6 P10635 2/20 0.56
FABP3 P05413 1/20 0.56
FABP4 P15090 1/20 0.56
HPGD P15428 3/20 0.55
GFER P55789 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MPO P05164 2/20 0.51
TAS2R14 Q9NYV8 2/20 0.50
DHODH Q02127 1/20 0.50
KCNK2 O95069 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30294635 0.83 AKR1C3 (0.56) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL30294477 0.83 DHODH (0.59) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL22853081 0.83 AKR1C3 (0.56) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL22853392 0.83 DHODH (0.59) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL22452471 0.82 MEN1 (0.63) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL22720113 0.80 MEN1 (0.72) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL31500249 0.80 AKR1C3 (0.64) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL330643 0.78 TMPRSS4 (0.69) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7064381 0.77 AKR1C3 (0.65) MAPTMEN1KMT2ALMNAPOLB
SCHEMBL6763103 0.76 CYP3A4 (0.61) MAPTMEN1KMT2ALMNAPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9211296-B2 Therapeutic compounds for blocking DNA synthesis of POX viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-15 US disclosed
US-9211296-B2 Therapeutic compounds for blocking DNA synthesis of POX viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-12-15 US disclosed
US-20130338117-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-12-19 US disclosed
US-8524719-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-03 US disclosed
US-8524719-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-09-03 US disclosed
US-8415393-B2 Anti-bacterial drug targeting of genome maintenance interfaces WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-09 US disclosed
US-8415393-B2 Anti-bacterial drug targeting of genome maintenance interfaces WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-09 US disclosed
US-8415393-B2 Anti-bacterial drug targeting of genome maintenance interfaces WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-04-09 US disclosed
US-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-20 US disclosed
US-8278342-B2 Therapeutic compounds for blocking DNA synthesis of pox viruses THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2012-10-02 US disclosed
EP-2178532-A2 ANTI-BACTERIAL DRUG TARGETING OF GENOME MAINTENANCE INTERFACES Wisconsin Alumni Research Foundation (US) 2010-04-28 EP disclosed
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 US disclosed
US-20090203754-A1 ANTI-BACTERIAL DRUG TARGETING OF GENOME MAINTENANCE INTERFACES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-08-13 US disclosed
US-20090203754-A1 ANTI-BACTERIAL DRUG TARGETING OF GENOME MAINTENANCE INTERFACES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-08-13 US disclosed
US-20090203754-A1 ANTI-BACTERIAL DRUG TARGETING OF GENOME MAINTENANCE INTERFACES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-08-13 US disclosed
WO-2009023343-A2 ANTI-BACTERIAL DRUG TARGETING OF GENOME MAINTENANCE INTERFACES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-02-19 WO disclosed
WO-2009023343-A2 ANTI-BACTERIAL DRUG TARGETING OF GENOME MAINTENANCE INTERFACES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-02-19 WO disclosed
WO-2009008906-A2 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-01-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120322770-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM MAPT 4220/4885MEN1 4101/4885KMT2A 3300/4885
US-20100035887-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM MAPT 4220/4885MEN1 4101/4885KMT2A 3300/4885
US-20090203754-A1 ANTI-BACTERIAL DRUG TARGETING OF GENOME MAINTENANCE INTERFACES DDB1, DCLRE1B, POLM MAPT 4348/4885MEN1 4066/4885KMT2A 4253/4885
US-20130338117-A1 THERAPEUTIC COMPOUNDS FOR BLOCKING DNA SYNTHESIS OF POX VIRUSES TPX2, POLB, POLM MAPT 4220/4885MEN1 4101/4885KMT2A 3300/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.